Results 301 to 310 of about 229,722 (351)

Analytic functions for potential energy curves, dipole moments, and transition dipole moments of LiRb molecule

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 2016
The analytic potential energy functions (APEFs) of the X(1)Σ(+), 2(1)Σ(+), a(3)Σ(+), and 2(3)Σ(+) states of the LiRb molecule are obtained using Morse long-range potential energy function with damping function and nonlinear least-squares method. These calculations were based on the potential energy curves (PECs) calculated using the multi-reference ...
Yang You, Li-Zhi Wang, Mei-Shan Wang, Wen-Wang Liu, Chuan-Lu Yang, Xiao-Guang Ma   +5 more
openaire   +3 more sources

Allowed transitions and the dipole moment of HD+

Chemical Physics Letters, 1974
Abstract Within the Born-Oppenheimer approximation homopolar isotopically unsymmetric diatomic ions (HD+, 14N15N+, 35Cl37Cl+, etc.) have D∞h symmetry and a non-vanishing dipole moment. This apparent paradox is reconciled here by treating carefully the transformation properties of the dipole moment operator in the D∞h group.
openaire   +2 more sources

Symmetry breaking charge transfer and control of the transition dipole moment in excited octupolar molecules.

Journal of Chemical Physics
The structure of the energy levels of excited symmetric donor-acceptor octupolar molecules suggests a completely symmetric state and a degenerate doublet. For most molecules, the doublet is the first excited state, which is called the normal level order,
Nickolay B Siplivy, A. Ivanov
semanticscholar   +1 more source

Permanent and transition dipole moments in CaF and CaCl

The Journal of Chemical Physics, 2001
Permanent and transition dipole moments have been calculated for various states of CaF and CaCl by using an effective one-electron variational eigenchannel R-matrix approach combined with generalized quantum defect theory. The ion core dipole moment has been evaluated ab initio.
S. Raouafi, Gwang-Hi Jeung, Ch. Jungen
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Transition dipole moments and probabilities of the CCl radicals

Journal of Quantitative Spectroscopy and Radiative Transfer, 2019
Abstract This work studies the transition dipole moments and properties of 12 electronic states. These states are X2Π, A2Δ, B2Σ+, C2Π, 12Σ−, 22Σ−, a4Σ−, b4Π, 14Σ+, 14Δ, 24Π, and 24Σ−; they originate from the first dissociation limit of the carbon monochloride radical.
Deheng Shi, Jinfeng Sun, Yuan Yin
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Multiphoton transitions in molecules with permanent dipole moments

Chemical Physics Letters, 1989
Abstract We use a nonperturbative treatment to study multiphoton transitions in molecules with permanent dipole moments. This generalizes the perturbative treatment of Scharf and Band (Chem. Phys. Letters 144 (1988) 165) for two-photon transitions in molecules with permanent dipole moments in the presence of electromagnetic fields of two frequencies,
Raanan Bavli, Donald F. Heller, Yehuda B. Band   +2 more
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Potential energy and transition dipole moment functions of

Molecular Physics, 2006
The potential energy curves of in its and states are constructed by morphing the appropriate icMRCI ab initio curves within the framework of the Reduced Potential Curve (RPC) approach of Jen[cbreve] and Pliva. The actual morphing is performed by fitting the RPC parameters to available experimental data.
V. pirko, T. edivcová
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Solvatofluorochromic flavonoid dyes with enlarged transition dipole moments enable the ratiometric detection of methanol in commercial biodiesel with improved sensitivities

, 2020
Enlarged transition dipole moment of the solvatofluorochromic probe could improve the detection sensitivity to methanol in biodiesel.
Tianyi Qin, B. Liu, Bing Du, Yingying Huang, Guangkai Yao, Zhiqing Xun, Hanhong Xu, Chen Zhao   +7 more
semanticscholar   +1 more source

Improved lower and upper bounds for dipole transition moments [PDF]

Journal of Physics B: Atomic and Molecular Physics, 1986
The effective-bounds formulae for dipole transition moments introduced by Anderson and Weinhold (1974) have been strengthened significantly without altering the approximate wavefunctions by two procedures, each of which modifies the transition operator.
C Laughlin, Maurice Cohen, D V I Roginsky   +2 more
openaire   +1 more source

Electronic transition dipole moment functions for NaK

Journal of Molecular Spectroscopy, 1985
Abstract Phase-consistent electronic transition dipole moment functions were calculated (as a function of internuclear separation) for the 80 dipole selection rule allowed transitions in the manifold of states of NaK treated previously [W. J. Stevens, D. D. Konowalow, and L. B. Ratcliff, (1984) J. Chem. Phys. 80, 1215–1224].
Daniel D. Konowalow, Walter J. Stevens, Lyn B. Ratcliff   +2 more
openaire   +2 more sources